>compound (S)-3-(1H-Imidazol-5-yl)-2-(trimethylammonio)propanoate
>parentmass 198.1237
>ionization [M+H]+
>instrumentation Orbitrap (LCMS)
>quality UNKNOWN
>rt 630.6s

>collision 10.0 eV
40.57680130004883	2414.0
40.94779968261719	2834.0
41.47439956665039	2410.0
42.0724983215332	2518.0
42.69559860229492	2624.0
42.802101135253906	2447.0
44.212501525878906	2484.0
44.216800689697266	2259.0
44.3202018737793	2471.0
44.76179885864258	2609.0
45.65599822998047	2694.0
45.89400100708008	2604.0
46.132598876953125	2561.0
46.182701110839844	2299.0
46.73590087890625	2380.0
47.05550003051758	2419.0
47.072200775146484	2627.0
47.33649826049805	2549.0
47.39690017700195	2054.0
47.42449951171875	2619.0
47.720401763916016	2710.0
47.90520095825195	2433.0
47.90650177001953	2473.0
48.082401275634766	2778.0
48.09769821166992	2338.0
48.27859878540039	2588.0
49.35110092163086	2335.0
49.530399322509766	12987.0
49.53150177001953	10156.0
49.53860092163086	2393.0
50.69879913330078	2366.0
50.7130012512207	2179.0
50.737098693847656	2582.0
50.84299850463867	2090.0
51.42850112915039	2427.0
52.260101318359375	2310.0
53.061798095703125	2557.0
53.675201416015625	2297.0
54.08729934692383	2535.0
54.099098205566406	2435.0
54.41019821166992	2657.0
54.59080123901367	2244.0
54.7244987487793	2397.0
54.83570098876953	2160.0
55.177799224853516	2552.0
55.399200439453125	2504.0
55.83150100708008	2873.0
55.96179962158203	2550.0
57.17940139770508	2548.0
57.951698303222656	2667.0
57.96540069580078	2388.0
58.362098693847656	2642.0
58.66120147705078	2702.0
58.955101013183594	2605.0
60.0807991027832	520799.0
60.083499908447266	2895.0
60.750099182128906	2461.0
61.35850143432617	2508.0
61.599098205566406	2514.0
62.26919937133789	2213.0
63.171199798583984	2471.0
63.21699905395508	2566.0
63.32149887084961	2618.0
63.767799377441406	2502.0
63.80730056762695	2675.0
65.2417984008789	2760.0
65.94550323486328	3038.0
67.7802963256836	2615.0
68.19419860839844	2502.0
68.2155990600586	3121.0
68.29049682617188	2347.0
68.58000183105469	2645.0
68.69190216064453	2445.0
68.72049713134766	2493.0
69.64360046386719	2576.0
70.37930297851562	2593.0
70.7333984375	2412.0
71.11710357666016	2629.0
71.80570220947266	2255.0
72.34269714355469	2226.0
72.7300033569336	2412.0
74.4761962890625	2673.0
75.20690155029297	2524.0
76.34020233154297	2287.0
76.73290252685547	2585.0
77.92430114746094	2603.0
79.48410034179688	2795.0
80.2782974243164	2620.0
80.55999755859375	2332.0
82.0531005859375	2300.0
82.7780990600586	2572.0
82.9717025756836	2392.0
84.29900360107422	2514.0
85.20999908447266	2303.0
86.18299865722656	2465.0
87.02749633789062	2197.0
88.32460021972656	2522.0
88.96700286865234	2526.0
89.20020294189453	2593.0
89.74620056152344	2739.0
89.93240356445312	2671.0
89.99549865722656	3231.0
90.00540161132812	2466.0
91.0833969116211	2602.0
91.89080047607422	2489.0
92.47969818115234	2881.0
93.01820373535156	2755.0
95.0604019165039	990304.0
95.34600067138672	2510.0
95.38059997558594	2767.0
95.5541000366211	2769.0
95.55719757080078	2390.0
97.20999908447266	2207.0
99.0990982055664	2548.0
100.54190063476562	2541.0
102.19259643554688	2412.0
108.47640228271484	2629.0
116.30159759521484	2233.0
116.4977035522461	2717.0
116.57949829101562	2289.0
116.84230041503906	2471.0
117.60870361328125	2522.0
118.72160339355469	2513.0
120.21939849853516	2503.0
126.31829833984375	2679.0
129.1549072265625	2578.0
133.71279907226562	2950.0
134.31520080566406	2548.0
139.05020141601562	13548.0
141.92930603027344	2632.0
144.39759826660156	3011.0
148.6553955078125	2636.0
154.11410522460938	3016.0
154.1197052001953	8201.0
154.13409423828125	5645619.0
154.1403045654297	43544.0
154.1417999267578	5534.0
154.14540100097656	10790.0
154.1488037109375	8296.0
154.4698028564453	2763.0
155.27549743652344	2774.0
164.08380126953125	2697.0
169.3616943359375	2437.0
170.93170166015625	2560.0
176.7270965576172	3040.0
180.1136932373047	19987.0
184.2196044921875	3076.0
185.14280700683594	2451.0
186.54359436035156	2753.0
188.98959350585938	2350.0
192.61090087890625	3015.0
195.80299377441406	2523.0
198.10299682617188	13239.0
198.1240997314453	8651148.0
198.13250732421875	75730.0
198.14059448242188	33674.0
198.1457061767578	51242.0
198.18580627441406	2965.0
198.20179748535156	2701.0
201.46080017089844	3132.0
202.8238983154297	2837.0

>collision 20.0 eV
40.79389953613281	2405.0
41.13690185546875	2866.0
42.15909957885742	2257.0
42.777801513671875	2537.0
42.7943000793457	2493.0
43.91109848022461	2600.0
44.04949951171875	2336.0
44.161399841308594	2919.0
44.56269836425781	2870.0
44.756500244140625	2513.0
45.097999572753906	2318.0
46.423301696777344	2324.0
47.0443000793457	2805.0
47.12110137939453	2317.0
47.152000427246094	2471.0
47.838401794433594	2397.0
48.349300384521484	2454.0
48.85860061645508	2596.0
48.90370178222656	2458.0
48.99290084838867	2749.0
49.10279846191406	3377.0
49.17570114135742	2373.0
49.90660095214844	2390.0
50.77899932861328	2225.0
51.075801849365234	2284.0
51.08879852294922	2811.0
51.798301696777344	2388.0
52.11859893798828	2350.0
52.20819854736328	2110.0
52.861900329589844	2322.0
54.221099853515625	2675.0
54.3390007019043	2444.0
55.28419876098633	2270.0
55.75830078125	2177.0
56.56769943237305	2612.0
56.652000427246094	2431.0
56.80289840698242	2404.0
56.83530044555664	2589.0
57.33729934692383	2130.0
57.735599517822266	2231.0
57.860198974609375	2634.0
58.06549835205078	2550.0
58.58760070800781	2724.0
58.9015007019043	2482.0
59.09980010986328	2244.0
59.947898864746094	2669.0
60.02410125732422	2529.0
60.07889938354492	3698.0
60.0807991027832	2109744.0
60.08259963989258	38933.0
60.083499908447266	40178.0
60.08449935913086	7395.0
60.095001220703125	2988.0
60.35029983520508	2490.0
60.40679931640625	2778.0
60.86149978637695	3117.0
61.012001037597656	2658.0
63.33319854736328	2467.0
65.01480102539062	2311.0
66.2688980102539	2536.0
66.53240203857422	2626.0
66.57980346679688	2459.0
66.86620330810547	2592.0
68.04959869384766	25349.0
68.34049987792969	2256.0
68.85009765625	2335.0
69.091796875	2285.0
70.51219940185547	2446.0
71.9291000366211	2523.0
72.20390319824219	2452.0
72.21009826660156	2294.0
72.42459869384766	2804.0
74.58409881591797	2360.0
75.0020980834961	2372.0
75.58209991455078	2788.0
75.97139739990234	2296.0
78.13999938964844	2540.0
78.58080291748047	2372.0
78.96160125732422	2647.0
79.37339782714844	2563.0
79.54199981689453	2458.0
81.21510314941406	2811.0
81.3134994506836	2923.0
84.03489685058594	2436.0
84.70809936523438	2277.0
88.51439666748047	2620.0
88.76899719238281	2645.0
89.1166000366211	2915.0
89.7428970336914	2542.0
90.92780303955078	2475.0
94.81690216064453	2338.0
94.83779907226562	2528.0
94.98509979248047	2380.0
95.056396484375	17072.0
95.0604019165039	6113575.0
95.06390380859375	100787.0
95.06580352783203	76246.0
95.06739807128906	47996.0
95.0696029663086	3800.0
99.7531967163086	2636.0
100.7510986328125	2749.0
102.55670166015625	2583.0
104.66790008544922	2518.0
104.9832992553711	2598.0
105.38999938964844	2525.0
105.89600372314453	2552.0
108.38240051269531	2415.0
109.472900390625	2229.0
110.06929779052734	2388.0
110.56439971923828	2397.0
111.0553970336914	15287.0
111.05999755859375	3141.0
111.55840301513672	2680.0
112.45079803466797	2908.0
113.02020263671875	2736.0
113.73470306396484	2809.0
114.23259735107422	2854.0
114.23619842529297	2483.0
114.50080108642578	2705.0
115.27619934082031	2578.0
116.76180267333984	2926.0
119.92279815673828	2951.0
121.03959655761719	3846.0
124.97899627685547	2316.0
128.44639587402344	2222.0
129.36819458007812	2433.0
134.06300354003906	2945.0
136.03689575195312	2726.0
139.05039978027344	51826.0
140.37269592285156	2332.0
142.23260498046875	2455.0
142.24560546875	2775.0
143.3721923828125	2713.0
145.0653076171875	2628.0
146.19639587402344	2343.0
147.26849365234375	3019.0
149.3621063232422	2955.0
151.2382049560547	2842.0
151.95379638671875	2858.0
154.1269989013672	3351.0
154.13409423828125	5469780.0
154.14039611816406	39855.0
154.14540100097656	9435.0
154.14869689941406	26816.0
155.19850158691406	2955.0
156.1472930908203	2365.0
159.6945037841797	3166.0
162.4241943359375	2525.0
165.09010314941406	25208.0
165.14610290527344	2913.0
170.4481964111328	2415.0
170.7115936279297	2890.0
175.56300354003906	2571.0
178.27789306640625	2346.0
180.1134033203125	27697.0
186.9261932373047	2862.0
197.30270385742188	2352.0
198.1085968017578	3476.0
198.1240997314453	1241785.0
198.1324005126953	8887.0
198.13389587402344	3900.0
198.18539428710938	2725.0
201.3007049560547	2399.0
206.07699584960938	2343.0
206.3105926513672	2601.0
207.72569274902344	2382.0

>collision 30.0 eV
40.066898345947266	2376.0
40.179298400878906	2335.0
40.47100067138672	2411.0
40.957000732421875	2613.0
41.03879928588867	3116.0
41.7682991027832	2640.0
42.34550094604492	2422.0
43.32270050048828	2887.0
43.6327018737793	3051.0
43.96900177001953	2751.0
44.049598693847656	14484.0
44.12049865722656	2657.0
44.84510040283203	2502.0
46.03099822998047	2661.0
46.1598014831543	2522.0
47.179100036621094	2760.0
47.76810073852539	2218.0
49.869598388671875	2829.0
49.876399993896484	2492.0
50.17649841308594	2549.0
50.6598014831543	2308.0
53.5724983215332	2819.0
54.99449920654297	2285.0
55.429298400878906	2191.0
56.44940185546875	2548.0
56.48400115966797	2478.0
56.813201904296875	2501.0
57.58620071411133	2472.0
59.19449996948242	2641.0
59.45819854736328	2537.0
59.49359893798828	2161.0
59.778099060058594	3024.0
60.0807991027832	2245780.0
60.08259963989258	40467.0
60.083499908447266	38742.0
60.08470153808594	6565.0
60.67660140991211	2655.0
62.38639831542969	2465.0
63.00040054321289	2271.0
63.79819869995117	2414.0
64.42749786376953	2552.0
65.15950012207031	2518.0
65.80719757080078	2433.0
67.06449890136719	2441.0
68.03700256347656	2412.0
68.04949951171875	235964.0
68.69129943847656	2412.0
70.46379852294922	2700.0
70.84760284423828	2850.0
71.80870056152344	2729.0
74.61620330810547	2472.0
75.45829772949219	3019.0
76.58360290527344	2453.0
80.05079650878906	2727.0
81.5270004272461	2510.0
82.90910339355469	2568.0
84.22380065917969	2390.0
84.80970001220703	2567.0
84.98480224609375	3000.0
85.22090148925781	2624.0
88.37950134277344	2672.0
94.37539672851562	2528.0
95.05329895019531	7824.0
95.056396484375	6450.0
95.0604019165039	10591587.0
95.06379699707031	172221.0
95.06590270996094	131053.0
95.06749725341797	91736.0
95.0696029663086	21058.0
95.17330169677734	2417.0
95.2667007446289	2755.0
95.34809875488281	2846.0
95.42449951171875	2510.0
96.91690063476562	3187.0
99.46620178222656	2558.0
99.61710357666016	2403.0
101.87930297851562	2612.0
102.37799835205078	2498.0
104.40380096435547	2734.0
104.55680084228516	2650.0
105.53929901123047	2697.0
107.52189636230469	2286.0
107.74849700927734	2442.0
111.0553970336914	103791.0
113.0551986694336	2353.0
114.4197998046875	2971.0
115.01619720458984	2523.0
115.14749908447266	2289.0
117.99490356445312	2575.0
121.03980255126953	5076.0
122.07170104980469	2904.0
122.48149871826172	2811.0
123.6240005493164	2886.0
123.74230194091797	2260.0
124.16889953613281	2699.0
125.64099884033203	2419.0
127.30999755859375	2820.0
129.64559936523438	2435.0
130.13279724121094	2501.0
130.19549560546875	2734.0
130.8618927001953	2630.0
133.98800659179688	2241.0
135.40130615234375	3096.0
136.7064971923828	2496.0
137.5449981689453	2402.0
139.05050659179688	42725.0
139.3917999267578	2950.0
146.80670166015625	2446.0
147.89419555664062	2391.0
148.72500610351562	2649.0
150.66920471191406	2505.0
153.8946075439453	2965.0
154.12379455566406	3597.0
154.1342010498047	1137978.0
154.1417999267578	4597.0
154.28689575195312	2457.0
159.70849609375	2791.0
160.8903045654297	2498.0
162.36849975585938	2805.0
165.09019470214844	48096.0
167.45550537109375	2858.0
170.8155975341797	2825.0
178.664794921875	2497.0
178.8876953125	2498.0
180.38330078125	2438.0
181.9093017578125	2479.0
187.6540069580078	2587.0
188.75149536132812	3056.0
190.47250366210938	2891.0
194.89720153808594	2474.0
197.17689514160156	2706.0
198.12440490722656	56118.0
205.51919555664062	2712.0
205.69970703125	2529.0
207.4384002685547	2610.0
208.90699768066406	2713.0

>collision 40.0 eV
40.48899841308594	2416.0
40.635101318359375	2885.0
41.038700103759766	54019.0
41.09519958496094	2754.0
42.0713005065918	2173.0
42.195899963378906	2747.0
42.628299713134766	2584.0
43.38199996948242	2314.0
44.049598693847656	47237.0
45.057498931884766	12029.0
46.066200256347656	2587.0
46.46329879760742	2471.0
47.12200164794922	2416.0
47.15729904174805	2317.0
47.28329849243164	2234.0
47.980201721191406	2397.0
48.1421012878418	2901.0
48.39540100097656	2443.0
48.58549880981445	2427.0
49.44300079345703	2479.0
49.64419937133789	2574.0
51.89179992675781	2377.0
53.10820007324219	2260.0
53.209999084472656	2397.0
53.254798889160156	2746.0
53.75019836425781	2674.0
54.04570007324219	2636.0
54.454498291015625	2707.0
54.554500579833984	2249.0
55.50299835205078	2469.0
56.32699966430664	2763.0
56.67660140991211	2809.0
57.47600173950195	2433.0
58.06520080566406	16186.0
58.731998443603516	2211.0
59.05540084838867	2855.0
59.49380111694336	2885.0
60.01070022583008	2680.0
60.062801361083984	2540.0
60.07889938354492	2446.0
60.0807991027832	1673633.0
60.08259963989258	16640.0
60.083499908447266	30916.0
60.44710159301758	2378.0
62.47629928588867	2641.0
63.03340148925781	2498.0
63.801300048828125	2880.0
63.809898376464844	2423.0
64.52140045166016	2589.0
65.0009994506836	2724.0
67.04170227050781	27344.0
68.04949951171875	1064144.0
68.05269622802734	5580.0
68.23249816894531	2707.0
69.02189636230469	2635.0
69.0447998046875	3002.0
70.00859832763672	2793.0
71.44750213623047	2604.0
72.39099884033203	2471.0
72.87840270996094	2584.0
72.93730163574219	2414.0
73.53099822998047	2827.0
75.45570373535156	2532.0
76.58070373535156	2504.0
77.127197265625	2522.0
77.87129974365234	3317.0
79.3324966430664	2786.0
79.83409881591797	2601.0
79.87079620361328	2899.0
80.0604019165039	2395.0
81.32620239257812	2548.0
81.91439819335938	2494.0
82.05269622802734	5755.0
82.30860137939453	2491.0
82.63829803466797	2499.0
82.966796875	2221.0
83.04280090332031	2462.0
83.0604019165039	21643.0
86.2260971069336	2417.0
89.23699951171875	2391.0
89.67469787597656	2432.0
89.82080078125	2822.0
91.88610076904297	2688.0
92.33879852294922	2962.0
93.67230224609375	2784.0
94.77400207519531	3411.0
94.80049896240234	2225.0
95.056396484375	39275.0
95.0604019165039	10708257.0
95.06390380859375	188941.0
95.06580352783203	174333.0
95.06739807128906	93395.0
95.0696029663086	18136.0
95.07170104980469	4004.0
95.34809875488281	3568.0
95.35079956054688	2704.0
96.4749984741211	2913.0
96.53279876708984	2545.0
96.72920227050781	2477.0
97.03939819335938	2297.0
97.72769927978516	2464.0
98.53479766845703	2961.0
101.12339782714844	2879.0
103.96260070800781	2461.0
105.18250274658203	2464.0
105.25360107421875	2562.0
105.2938003540039	2404.0
105.5208969116211	2650.0
106.6093978881836	2973.0
107.95999908447266	2464.0
109.53700256347656	2658.0
109.54920196533203	2980.0
110.2333984375	2714.0
111.0553970336914	183975.0
111.55339813232422	2447.0
111.88829803466797	2917.0
114.17060089111328	2437.0
116.82669830322266	3454.0
121.03980255126953	23770.0
122.07129669189453	25813.0
122.14140319824219	2871.0
127.13259887695312	2580.0
127.96089935302734	2712.0
128.16839599609375	2885.0
128.58380126953125	2610.0
129.46420288085938	2553.0
131.6123046875	2629.0
133.0679931640625	2777.0
139.05039978027344	7527.0
154.13409423828125	107677.0
156.22000122070312	2576.0
156.41079711914062	3099.0
158.24679565429688	2634.0
163.72320556640625	2445.0
165.08990478515625	24110.0
171.80020141601562	2587.0
173.93499755859375	2736.0
180.86700439453125	2823.0
183.6551971435547	2748.0
188.2404022216797	2875.0
192.77220153808594	2488.0
196.84390258789062	2650.0
201.14239501953125	2961.0
201.33929443359375	2621.0
202.6750946044922	2877.0
202.96180725097656	2562.0
205.50230407714844	2690.0

>collision 50.0 eV
41.038700103759766	227458.0
41.57789993286133	2400.0
42.034000396728516	15738.0
42.25469970703125	2502.0
42.38650131225586	2437.0
42.7495002746582	2406.0
42.8734016418457	2654.0
43.44770050048828	2575.0
44.049598693847656	76582.0
44.26190185546875	2516.0
44.483699798583984	3138.0
44.91379928588867	2171.0
44.94499969482422	2740.0
45.05739974975586	28162.0
45.65999984741211	2546.0
47.13650131225586	2874.0
47.2849006652832	2543.0
48.81869888305664	2447.0
49.28710174560547	2731.0
50.335899353027344	2513.0
50.47600173950195	2713.0
50.52859878540039	2360.0
50.80149841308594	2844.0
51.33330154418945	2801.0
51.44219970703125	2344.0
51.815799713134766	2429.0
52.134700775146484	2531.0
52.303199768066406	2720.0
52.335601806640625	2350.0
52.37580108642578	2823.0
52.433799743652344	2409.0
52.441001892089844	2313.0
52.67490005493164	2398.0
52.91659927368164	2072.0
54.03390121459961	25875.0
54.7056999206543	2420.0
56.3671989440918	2556.0
57.1068000793457	2788.0
58.06520080566406	49354.0
58.23979949951172	2432.0
58.50979995727539	2793.0
58.57789993286133	2190.0
59.07310104370117	2697.0
59.22869873046875	2208.0
59.32429885864258	2336.0
59.40359878540039	2383.0
60.0807991027832	1345504.0
60.083499908447266	4849.0
60.71179962158203	2388.0
62.28010177612305	2640.0
62.62839889526367	2364.0
63.306800842285156	2713.0
63.684600830078125	2683.0
64.11920166015625	2315.0
64.86920166015625	2541.0
65.22540283203125	2646.0
65.58540344238281	2397.0
66.84739685058594	2433.0
67.04170227050781	100178.0
67.56819915771484	2753.0
67.8572006225586	2515.0
68.0470962524414	3121.0
68.04759979248047	3285.0
68.04949951171875	2387277.0
68.05159759521484	14984.0
68.05259704589844	47425.0
68.05390167236328	3361.0
68.43099975585938	2452.0
68.70770263671875	2706.0
69.65039825439453	2544.0
73.44439697265625	2759.0
73.5093994140625	2484.0
74.83460235595703	2705.0
76.39790344238281	2421.0
76.502197265625	2893.0
77.16290283203125	3081.0
77.59259796142578	2384.0
78.03389739990234	5326.0
80.85079956054688	2559.0
82.05249786376953	40793.0
83.0604019165039	60378.0
83.13379669189453	2990.0
84.16909790039062	2464.0
85.22260284423828	2831.0
87.26280212402344	3084.0
88.1531982421875	2402.0
88.3333969116211	2483.0
88.35759735107422	2593.0
91.5781021118164	2527.0
91.7061996459961	2738.0
92.32369995117188	2410.0
93.0447998046875	22330.0
93.78410339355469	2363.0
93.93840026855469	2455.0
95.05130004882812	4425.0
95.056396484375	29522.0
95.0604019165039	8320958.0
95.06390380859375	151825.0
95.06580352783203	133762.0
95.06739807128906	79216.0
95.0696029663086	8381.0
95.07160186767578	3955.0
95.3479995727539	2590.0
96.04440307617188	7298.0
96.17489624023438	2347.0
97.87680053710938	2449.0
98.59339904785156	2873.0
98.62210083007812	2778.0
98.85240173339844	2670.0
100.31600189208984	2411.0
109.9811019897461	3049.0
111.0552978515625	187342.0
112.54820251464844	2711.0
114.05819702148438	2613.0
121.03970336914062	19269.0
122.07140350341797	43735.0
125.4375991821289	3231.0
127.17759704589844	2979.0
127.81700134277344	2653.0
130.64999389648438	2589.0
131.6846923828125	2705.0
136.72569274902344	2673.0
140.0865936279297	2622.0
144.4741973876953	2915.0
147.26210021972656	2530.0
147.2718048095703	2789.0
147.2729034423828	3175.0
147.27520751953125	2735.0
147.283203125	2926.0
147.2863006591797	3132.0
147.29200744628906	2712.0
148.75050354003906	2531.0
150.78439331054688	2496.0
154.49710083007812	3219.0
158.2819061279297	2560.0
160.31900024414062	2634.0
161.71200561523438	2729.0
164.14669799804688	2465.0
167.75140380859375	2761.0
169.1820068359375	2663.0
172.1125030517578	2548.0
175.56809997558594	2779.0
178.57040405273438	3111.0
178.57479858398438	2478.0
178.84840393066406	2551.0
187.76199340820312	3224.0
192.61770629882812	3177.0
194.94309997558594	3161.0
204.543701171875	2604.0
205.66990661621094	2726.0
207.372802734375	2732.0

